Computational studies - Globe Thesis

Keyword [Computational studies] Result: 101 - 120 \| Page: 6 of 9
101.	Neutralization-reionization mass spectrometry and computational studies of hydrogen atom adducts to the amide bond
102.	Synthesis, characterization, and computational studies of unsaturated transition metal complexes
103.	Computational studies of environmentally important processes at aqueous interfaces
104.	Computational Studies of Chemical Systems: I. A Molecular Dynamics Simulation of Methane Hydrate; II. Theoretical Investigation of Water Loading on a Pyrophyllite (001) Surface
105.	Vibrationally state selected ion molecule experimental and computational studies of both reactant charge states of [nitrogen dioxide + ethyne]+ and HOD+ with nitrogen dioxide
106.	QM/MM computational studies and theoretical development: The reaction mechanism of 4-oxalocrotonate tautomerase
107.	Theoretical and computational studies of microscopic water channels
108.	Computational studies of aromatic nitration
109.	Computational studies of deformation in HCP metals and defects in a lead-free ferroelectric ceramic
110.	Computational studies of transition metal complexes relevant to catalytic alkane functionalization
111.	Theoretical and Computational Studies Related to Solar Water Splitting with Semiconductor Alloys
112.	Computational studies of electron transfer proteins: Rubredoxin-type proteins and ferredoxin
113.	Combined experimental and computational studies of model compounds to gain understanding of catalytic upgrading of bio-oils
114.	Computational Studies of Proteins: Dynamics and Interactions with Small Molecules
115.	Computational Studies of the Breathing Motion of the Metal-Organic Framework DMOF-1
116.	Computational studies of reactions responsible for the formation and removal of phenyl radicals in hydrocarbon combustion
117.	Computational studies of protein stabilization and denaturation by small molecules
118.	Semi-empirical molecular orbital methods and ab initio calculations in dye chemistry: Computational studies towards the design and synthesis of organic pigments
119.	Computational studies of natural and nonnatural nucleic acids: Formation and repair of thymine dimers and structure/dynamics of GNA
120.	Computational studies of HIV-1 RT and quinone oxidoreductase: Interaction, activity, and mechanism
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